BDBM50072186 CHEMBL61047::Phosphoric acid mono-[4-((S)-2-acetylamino-2-{[((S)-1,2-dicarbamoyl-ethylcarbamoyl)-methyl]-carbamoyl}-ethyl)-phenyl] ester

SMILES: CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(N)=O

InChI Key: InChIKey=VEXZKKOEFKAIQW-STQMWFEESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50072186   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Grb2-SH2 (Homo sapiens (Human))	BDBM50072186 (CHEMBL61047 | Phosphoric acid mono-[4-((S)-2-acety...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(N)=O Show InChI InChI=1S/C17H24N5O9P/c1-9(23)21-13(6-10-2-4-11(5-3-10)31-32(28,29)30)17(27)20-8-15(25)22-12(16(19)26)7-14(18)24/h2-5,12-13H,6-8H2,1H3,(H2,18,24)(H2,19,26)(H,20,27)(H,21,23)(H,22,25)(H2,28,29,30)/t12-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Grb2 SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain				Bioorg Med Chem Lett 9: 1973-8 (1999) BindingDB Entry DOI: 10.7270/Q26W9985
					More data for this Ligand-Target Pair
Grb2-SH2 (Homo sapiens (Human))	BDBM50072186 (CHEMBL61047 | Phosphoric acid mono-[4-((S)-2-acety...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(N)=O Show InChI InChI=1S/C17H24N5O9P/c1-9(23)21-13(6-10-2-4-11(5-3-10)31-32(28,29)30)17(27)20-8-15(25)22-12(16(19)26)7-14(18)24/h2-5,12-13H,6-8H2,1H3,(H2,18,24)(H2,19,26)(H,20,27)(H,21,23)(H,22,25)(H2,28,29,30)/t12-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of Growth factor receptor bound protein 2 SH2 domain binding to phospho-EGFR by ELISA				Bioorg Med Chem Lett 8: 2865-70 (1999) BindingDB Entry DOI: 10.7270/Q2T72GKN
					More data for this Ligand-Target Pair